ethyl 6-tert-butyl-2-[[2-(3-ethoxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate

Systemtic Name: ethyl 6-tert-butyl-2-[[2-(3-ethoxyphenyl)quinolin-4-yl]carbonylamino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Openeye Name: ethyl 6-tert-butyl-2-[[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylate CAS Name: 6-tert-butyl-2-[[[2-(3-ethoxyphenyl)-4-quinolinyl]-oxomethyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylic acid ethyl ester IUPAC Name: ethyl 6-tert-butyl-2-[[2-(3-ethoxyphenyl)quinoline-4-carbonyl]amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate Traditional Name: 6-tert-butyl-2-[(2-m-phenetylquinoline-4-carbonyl)amino]-4,5,6,7-tetrahydrobenzothiophene-3-carboxylic acid ethyl ester Formula: C33H36N2O4S MolecularWeight: 556.71494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)OCC

Isomeric SMILES

CCOC1=CC=CC(=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C5=C(S4)CC(CC5)C(C)(C)C)C(=O)OCC

InChI

InChI=1S/C33H36N2O4S/c1-6-38-22-12-10-11-20(17-22)27-19-25(23-13-8-9-14-26(23)34-27)30(36)35-31-29(32(37)39-7-2)24-16-15-21(33(3,4)5)18-28(24)40-31/h8-14,17,19,21H,6-7,15-16,18H2,1-5H3,(H,35,36)